Vitas-M small molecule compound

(2Z)-2-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-(4-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

Catalog ID
STK705672
SMILES CCOc1ccc(cc1F)c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)OC)c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C31H24FN5O4S MW 581.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24FN5O4S/c1-3-41-26-14-11-20(16-24(26)32)28-21(18-36(35-28)22-7-5-4-6-8-22)17-27-30(39)37-31(42-27)33-29(38)25(34-37)15-19-9-12-23(40-2)13-10-19/h4-14,16-18H,3,15H2,1-2H3/b27-17-
InChIKey
LOIQMCLIBYBXJP-PKAZHMFMSA-N
Synonyms

(2Z)2((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylidene)6(4methoxybenzyl)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)2((3(4ETHOXY3FLUOROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)6((4METHOXYPHENYL)METHYL)(13)THIAZOLO(32B)(124)TRIAZINE37DIONE
(Z)2((3(4ethoxy3fluorophenyl)1phenyl1Hpyrazol4yl)methylene)6(4methoxybenzyl)2Hthiazolo(32b)(124)triazine37dione
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=C(C=C5)OC)S3)C6=CC=CC=C6)F
CCOc1ccc(cc1F)c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccc(cc1)OC)c1ccccc1
InChI=1SC31H24FN5O4Sc134126141120(1624(26)32)2821(1836(3528)227546822)172730(39)3731(4227)3329(38)25(3437)151991223(402)131019h4141618H315H212H3b2717
MFCD05727375
ZINC000098000069
ZINC98000069

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Available files

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